CID 6074761

Ethanamine, n,n-diethyl-2-(4-(2-(3-methyl-5-isoxazolyl)ethenyl)phenoxy)-, monohydrochloride, (e)-

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CCN(CC)CCOC1=CC=C(C=C1)/C=C/C2=CC(=NO2)C
InChI
InChI=1S/C18H24N2O2/c1-4-20(5-2)12-13-21-17-9-6-16(7-10-17)8-11-18-14-15(3)19-22-18/h6-11,14H,4-5,12-13H2,1-3H3/b11-8+
InChIKey
FIQHCQLSUGIIRB-DHZHZOJOSA-N
Compound name
N,N-diethyl-2-[4-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.18378 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 174.7
[M+Na]+ 323.17300 180.9
[M-H]- 299.17650 181.7
[M+NH4]+ 318.21760 189.4
[M+K]+ 339.14694 178.8
[M+H-H2O]+ 283.18104 165.8
[M+HCOO]- 345.18198 198.4
[M+CH3COO]- 359.19763 209.6
[M+Na-2H]- 321.15845 177.0
[M]+ 300.18323 180.4
[M]- 300.18433 180.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.